Reaction Details Report a problem with these data
Target
Histamine receptor H3
Ligand
BDBM247452
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
39.4±n/a nM
Citation
 Gao, Z Substituted phenyl cycloalkyl pyrrolidine (piperidine) spirolactams and amides, preparation and therapeutic use thereof US Patent  US9453023 Publication Date 9/27/2016 
Target
Name:
Histamine receptor H3
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
48611.84
Organism:
Macaca mulatta (Rhesus macaque)
Description:
Q865E1
Residue:
445
Sequence:
MERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGNTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAGGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAAGAEAGETALGGGGGGGSAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEQCWK
  
Inhibitor
Name:
BDBM247452
Synonyms:
US9453023, 11
Type:
Small organic molecule
Emp. Form.:
C26H38N2O2
Mol. Mass.:
410.5921
SMILES:
C[C@H]1CCCCN1[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCC2(CCOCC2)C1=O |r,wU:10.14,wD:7.7,1.0,(6.01,-3.4,;6.78,-2.07,;8.32,-2.07,;9.09,-.73,;8.32,.6,;6.78,.6,;6.01,-.73,;4.47,-.73,;3.7,.6,;2.16,.6,;1.39,-.73,;2.16,-2.07,;3.7,-2.07,;-.15,-.73,;-.92,-2.07,;-2.46,-2.07,;-3.23,-.73,;-2.46,.6,;-.92,.6,;-4.77,-.73,;-6.01,-1.64,;-7.26,-.73,;-6.78,.73,;-6.01,2.07,;-6.78,3.4,;-8.32,3.4,;-9.09,2.07,;-8.32,.73,;-5.24,.73,;-4.47,2.07,)|
Structure:
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